Abstract
Diffusion in liquid SiO 2 nanoparticle with the diameter of 4 nm has been studied in a spherical model containing 2214 atoms via Molecular Dynamics simulation (MD). Diffusion constant of atomic species has been calculated over temperatures ranged from 2100 K to 7000 K and compared with those observed for the bulk. We found that temperature dependence of diffusion constant of atomic species in nanoparticle shows an Arrhenius law at temperatures above 2100 K and at T > 4200 K , it deviates from an Arrhenius law. However, unlike those observed in the bulk at T > 4200 K , it does not show a power law, D ~ (T - Tc)γ. Moreover, at relatively low temperatures, diffusion constant in nanoparticle is higher than that in the bulk indicating the surface dynamics effects.
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